Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.69 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.69 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.69 |
| ▸ | TACR2 | P21452 | 2/20 | 0.69 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.69 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.69 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | LMNA | P02545 | 2/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.69 |
| ▸ | SHBG | P04278 | 1/20 | 0.69 |
| ▸ | TP53 | P04637 | 1/20 | 0.69 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.69 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.69 |
| ▸ | HTR2C | P28335 | 1/20 | 0.69 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.69 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.69 |
| ▸ | TST | Q16762 | 1/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.69 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6285688 | 1.00 | ESR1 (0.69) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL6282873 | 1.00 | ESR1 (0.69) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL6287871 | 0.98 | ALDH1A1 (0.65) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL18533218 | 0.95 | LMNA (0.69) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL879252 | 0.95 | LMNA (0.69) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL8496112 | 0.95 | LMNA (0.69) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL6270009 | 0.95 | LMNA (0.69) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL10929763 | 0.95 | LMNA (0.69) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL15922494 | 0.95 | LMNA (0.69) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL9512491 | 0.95 | LMNA (0.69) | ESR1ADRA2AADORA3TACR2SLC6A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3092222-A1 | IMPROVED FINGOLIMOD PROCESS | Emcure Pharmaceuticals Limited (IN) | 2016-11-16 | — | — | EP | disclosed |
| WO-2015107548-A1 | IMPROVED FINGOLIMOD PROCESS | EMCURE PHARMACEUTICALS LIMITED (IN) | 2015-07-23 | — | — | WO | disclosed |
| WO-2014118556-A2 | SELECTIVE INHIBITORS AND ALLOSTERIC ACTIVATORS OF SPHINGOSINE KINASE | RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) | 2014-08-07 | — | — | WO | disclosed |
| EP-2632889-A2 | INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD | Mapi Pharma Limited (IL) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012056458-A2 | INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD | MAPI PHARMA LTD. (IL) | 2012-05-03 | — | — | WO | disclosed |